ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate

C11H19NO3S — CID 143933499

IUPACethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate
SMILESCC.CCOC(=O)c1sc(C)nc1COC
InChIInChI=1S/C9H13NO3S.C2H6/c1-4-13-9(11)8-7(5-12-3)10-6(2)14-8;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyVUUDINSBYRNXNM-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.80
Rot. Bonds4

About ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate

ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate (PubChem CID 143933499) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate
PubChem CID143933499
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Nameethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate
SMILESCC.CCOC(=O)c1sc(C)nc1COC
InChIInChI=1S/C9H13NO3S.C2H6/c1-4-13-9(11)8-7(5-12-3)10-6(2)14-8;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyVUUDINSBYRNXNM-UHFFFAOYSA-N
XLogP2.80
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate
CID 67428223
ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 143933478
[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 82439865
ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate
CID 57438572
ethyl 2-tert-butyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 69475996
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
5-acetyl-2-methyl-1,3-thiazole-4-carboxamide;azane;ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 158653673
ethyl 4-(2-ethoxy-2-oxoethyl)-2-iodo-1,3-thiazole-5-carboxylate
CID 69484699
1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82441470
ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840664
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate (CID 143933499) is ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate is CC.CCOC(=O)c1sc(C)nc1COC.
What is the InChIKey of ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VUUDINSBYRNXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S.C2H6/c1-4-13-9(11)8-7(5-12-3)10-6(2)14-8;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate?
ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 245.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 143933499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).